P450 SOM predictor
Combining site-of-metabolism and reactivity for (P450) site-of-metabolism prediction. Includes structure-based predictor (from OpenRiskNet partner VU) and third-party (University of Copenhagen) reactivity predictor (SMARTCyp).
Processing and analysis
Structure-activity relationship (SAR / QSAR)
Relevant OpenRiskNet case study:
MetaP - Metabolism Prediction
Vrije Universiteit Amsterdam
Integration in progress